Pentaerythrityl Tetrachloride - ≥98%(GC) , CAS No.3228-99-7

CAS: 3228-99-7 Cat. No.: P138670 Summenformel: C₅H₈Cl₄ Molekulargewicht: 209.92 Beilstein Registry Number: 1(4)336 EG-Nummer: 221-763-8 PubChem CID: 76700

GRADE & PURITY ≥98%(GC)

Synonyms

NSC405471 | NSC-405471 | STL453713 | A24648 | DTXSID90186029 | NSC 405471 | Pentaerythritol tetrachloride | FT-0634732 | Methane, tetrakis(chloromethyl)-;pentaerythritoltetrachloride;Propane, 1,3-dichloro-2,2-bis(chloromethyl)- | MFCD00018913 | UNII-CHR4T

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

NSC405471 | NSC-405471 | STL453713 | A24648 | DTXSID90186029 | NSC 405471 | Pentaerythritol tetrachloride | FT-0634732 | Methane, tetrakis(chloromethyl)-;pentaerythritoltetrachloride;Propane, 1,3-dichloro-2,2-bis(chloromethyl)- | MFCD00018913 | UNII-CHR4T

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Kanonisches Lächeln

C(C(CCl)(CCl)CCl)Cl

IUPAC Name

1,3-dichloro-2,2-bis(chloromethyl)propane

InChIKey

KPZGRMZPZLOPBS-UHFFFAOYSA-N

INCHI

1S/C5H8Cl4/c6-1-5(2-7,3-8)4-9/h1-4H2

Isomere SMILES

C(C(CCl)(CCl)CCl)Cl

PubChem CID

76700

Molekulargewicht

209.92

Beilstein

1(4)336

Reaxy-Rn

1698943

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water.
• Siedepunkt (°C): 110°C/12mmHg
• Schmelzpunkt (°C): 95-98°C
• Molekulargewicht: 209.900 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 209.935 Da
• Monoisotopic Mass: 207.938 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 51.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3228-99-7, the molecular formula is C5H8Cl4, and the molecular weight is 209.92 g/mol. InChIKey KPZGRMZPZLOPBS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.